N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine

C15H25BrN2O — CID 62556159

IUPACN-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCOCCN(CCNc1cccc(Br)c1)CC(C)C
InChIInChI=1S/C15H25BrN2O/c1-13(2)12-18(9-10-19-3)8-7-17-15-6-4-5-14(16)11-15/h4-6,11,13,17H,7-10,12H2,1-3H3
InChIKeyILIKOTRQJXFSCF-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.47
Rot. Bonds9

About N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine

N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62556159) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62556159
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC NameN-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCOCCN(CCNc1cccc(Br)c1)CC(C)C
InChIInChI=1S/C15H25BrN2O/c1-13(2)12-18(9-10-19-3)8-7-17-15-6-4-5-14(16)11-15/h4-6,11,13,17H,7-10,12H2,1-3H3
InChIKeyILIKOTRQJXFSCF-UHFFFAOYSA-N
XLogP3.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62617396
N-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 55089867
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 62555115
3-bromo-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 62566662
N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine
CID 61378856
N-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55089880
N-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62559074
N-(3-bromophenyl)-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112666233
N',N'-bis(2-methoxyethyl)-N-pyridin-3-ylethane-1,2-diamine
CID 67897474
N-[2-(3-bromoanilino)ethyl]-2-methoxypropanamide
CID 75499410
3-bromo-N,N-bis(2-methoxyethyl)aniline
CID 146003902
N-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide
CID 111436409

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine (CID 62556159) is N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine is COCCN(CCNc1cccc(Br)c1)CC(C)C.
What is the InChIKey of N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is ILIKOTRQJXFSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-13(2)12-18(9-10-19-3)8-7-17-15-6-4-5-14(16)11-15/h4-6,11,13,17H,7-10,12H2,1-3H3.
What are the key properties of N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 329.28 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62556159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).